N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide

C14H16N4O2 — CID 47470318

IUPACN-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NC(N)=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H16N4O2/c1-2-6-18(10-13(19)17-14(16)20)9-12-5-3-4-11(7-12)8-15/h2-5,7H,1,6,9-10H2,(H3,16,17,19,20)
InChIKeyCNCXOMAUDYPIEH-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.74
Rot. Bonds6

About N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide

N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide (PubChem CID 47470318) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide
PubChem CID47470318
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NC(N)=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H16N4O2/c1-2-6-18(10-13(19)17-14(16)20)9-12-5-3-4-11(7-12)8-15/h2-5,7H,1,6,9-10H2,(H3,16,17,19,20)
InChIKeyCNCXOMAUDYPIEH-UHFFFAOYSA-N
XLogP0.74
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
3-[(dibenzylamino)methyl]benzonitrile
CID 39161516
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
4-[[(3-cyanophenyl)methyl-prop-2-enylcarbamoyl]amino]butanoic acid
CID 122021400
1-[(3-cyanophenyl)methyl]-3-(2-methoxyethyl)-1-prop-2-enylurea
CID 47471765
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 62982745
2-[(3-cyanophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425157
3-[(3-aminophenyl)methyl-prop-2-enylamino]prop-1-en-2-ol
CID 89159576
methyl 2-[(3-cyanophenyl)methyl-methylamino]-2-oxoacetate
CID 112617191
2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 47170731
3-[(3-cyanophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424158

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide (CID 47470318) is N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)NC(N)=O)Cc1cccc(C#N)c1.
What is the InChIKey of N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide?
The InChIKey is CNCXOMAUDYPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-6-18(10-13(19)17-14(16)20)9-12-5-3-4-11(7-12)8-15/h2-5,7H,1,6,9-10H2,(H3,16,17,19,20).
What are the key properties of N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide?
N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 47470318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).